SCHEMBL6316596

SCHEMBL6316596

Cc1ccc(N(O)CCl)s1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
ALOX5 P09917 1/20 0.33
PRMT6 Q96LA8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPT P10636 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 1/20 0.30
PTPN11 Q06124 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6318677 0.75 GSK3B (0.41) DAO
SCHEMBL6123704 0.67
SCHEMBL6323170 0.64
SCHEMBL16982399 0.64 ALDH1A1 (0.41) DAOALDH1A1CASP3SENP8SENP7
SCHEMBL12700816 0.64 PTGIR (0.37) DAOALDH1A1POLBHPGDMAPT
SCHEMBL12394216 0.64 ALDH1A1 (0.41) DAOALDH1A1CASP3SENP8SENP7
SCHEMBL16982396 0.62 ALDH1A1 (0.39) ALDH1A1MAPTTDP1
SCHEMBL12192322 0.62 DAO (0.37) DAOALOX5PRMT6ALDH1A1POLB
SCHEMBL64283 0.61
SCHEMBL8780853 0.61 MAPT (0.48) DAOPRMT6ALDH1A1POLBHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 DAO 662/4885ALOX5 2762/4885PRMT6 1746/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.